[2-(octadecylcarbamoyl)phenyl]methyl 4-(2-hydroxyethyl)piperazine-1-carboxylate hydrochloride

Systemtic Name: [2-(octadecylcarbamoyl)phenyl]methyl 4-(2-hydroxyethyl)piperazine-1-carboxylate hydrochloride Openeye Name: [2-(octadecylcarbamoyl)phenyl]methyl 4-(2-hydroxyethyl)piperazine-1-carboxylate hydrochloride CAS Name: 4-(2-hydroxyethyl)-1-piperazinecarboxylic acid [2-[(octadecylamino)-oxomethyl]phenyl]methyl ester hydrochloride IUPAC Name: [2-(octadecylcarbamoyl)phenyl]methyl 4-(2-hydroxyethyl)piperazine-1-carboxylate hydrochloride Traditional Name: 4-(2-hydroxyethyl)piperazine-1-carboxylic acid [2-(stearylcarbamoyl)benzyl] ester hydrochloride Formula: C33H58ClN3O4 MolecularWeight: 596.28432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C1=CC=CC=C1COC(=O)N2CCN(CC2)CCO.Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C1=CC=CC=C1COC(=O)N2CCN(CC2)CCO.Cl

InChI

InChI=1S/C33H57N3O4.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-34-32(38)31-21-18-17-20-30(31)29-40-33(39)36-25-23-35(24-26-36)27-28-37;/h17-18,20-21,37H,2-16,19,22-29H2,1H3,(H,34,38);1H